1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[7-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-yl-1H-indol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(1,3-dihydroxypropan-2-yl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,3-dihydro-1-benzofuran-6-yl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;methyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butyl-1H-indole-7-carboxylate

C168H168F3N15O23 — CID 157411179

About 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[7-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-yl-1H-indol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(1,3-dihydroxypropan-2-yl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,3-dihydro-1-benzofuran-6-yl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;methyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butyl-1H-indole-7-carboxylate

1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[7-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-yl-1H-indol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(1,3-dihydroxypropan-2-yl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,3-dihydro-1-benzofuran-6-yl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;methyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butyl-1H-indole-7-carboxylate (PubChem CID 157411179) has the molecular formula C168H168F3N15O23 and a molecular weight of 2822.27 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[7-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-yl-1H-indol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(1,3-dihydroxypropan-2-yl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,3-dihydro-1-benzofuran-6-yl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;methyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butyl-1H-indole-7-carboxylate.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[7-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-yl-1H-indol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(1,3-dihydroxypropan-2-yl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,3-dihydro-1-benzofuran-6-yl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;methyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butyl-1H-indole-7-carboxylate
• PubChem CID: 157411179
• Molecular Formula: C168H168F3N15O23
• Molecular Weight: 2822.27 g/mol
• Exact Mass: 2820.24
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[7-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-yl-1H-indol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(1,3-dihydroxypropan-2-yl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,3-dihydro-1-benzofuran-6-yl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;methyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butyl-1H-indole-7-carboxylate
• SMILES: CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1C(CO)CO.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCC5)CC3)ccc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CC1(c2cc3cc(NC(=O)C4(c5ccc6c(c5)OCO6)CC4)cc(F)c3[nH]2)CC1.COC(=O)c1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc2cc(C(C)(C)C)[nH]c12.COc1ccc(C2(C(=O)Nc3ccc4[nH]c(C5(C)CC5)cc4c3)CC2)cc1.O=C(Nc1ccc2[nH]c(-c3ccncc3)cc2c1)C1(c2ccc3c(c2)OCO3)CC1
• InChI: InChI=1S/C26H28F2N2O5.C25H26N2O5.C24H19N3O3.C24H26N2O2.C23H21FN2O3.C23H24N2O3.C23H24N2O2/c1-24(2,3)22-11-15-10-17(5-6-19(15)30(22)18(13-31)14-32)29-23(33)25(8-9-25)16-4-7-20-21(12-16)35-26(27,28)34-20;1-24(2,3)20-10-14-9-16(12-17(21(14)27-20)22(28)30-4)26-23(29)25(7-8-25)15-5-6-18-19(11-15)32-13-31-18;28-23(24(7-8-24)17-1-4-21-22(13-17)30-14-29-21)26-18-2-3-19-16(11-18)12-20(27-19)15-5-9-25-10-6-15;1-23(2,3)21-13-16-12-18(6-7-19(16)26-21)25-22(27)24(9-10-24)17-5-4-15-8-11-28-20(15)14-17;1-22(4-5-22)19-9-13-8-15(11-16(24)20(13)26-19)25-21(27)23(6-7-23)14-2-3-17-18(10-14)29-12-28-17;1-22(2,3)20-11-14-10-16(5-6-17(14)25-20)24-21(26)23(8-9-23)15-4-7-18-19(12-15)28-13-27-18;1-22(9-10-22)20-14-15-13-17(5-8-19(15)25-20)24-21(26)23(11-12-23)16-3-6-18(27-2)7-4-16/h4-7,10-12,18,31-32H,8-9,13-14H2,1-3H3,(H,29,33);5-6,9-12,27H,7-8,13H2,1-4H3,(H,26,29);1-6,9-13,27H,7-8,14H2,(H,26,28);4-7,12-14,26H,8-11H2,1-3H3,(H,25,27);2-3,8-11,26H,4-7,12H2,1H3,(H,25,27);4-7,10-12,25H,8-9,13H2,1-3H3,(H,24,26);3-8,13-14,25H,9-12H2,1-2H3,(H,24,26)
• InChIKey: BOHPYWHOWISWOJ-UHFFFAOYSA-N
• XLogP: 33.33
• TPSA: 493.78 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 25
• Rotatable Bonds: 29
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2822.27
LogP ≤ 5	33.33
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[7-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-yl-1H-indol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(1,3-dihydroxypropan-2-yl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,3-dihydro-1-benzofuran-6-yl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;methyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butyl-1H-indole-7-carboxylate?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[7-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-yl-1H-indol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(1,3-dihydroxypropan-2-yl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,3-dihydro-1-benzofuran-6-yl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;methyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butyl-1H-indole-7-carboxylate (CID 157411179) is 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[7-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-yl-1H-indol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(1,3-dihydroxypropan-2-yl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,3-dihydro-1-benzofuran-6-yl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;methyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butyl-1H-indole-7-carboxylate.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[7-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-yl-1H-indol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(1,3-dihydroxypropan-2-yl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,3-dihydro-1-benzofuran-6-yl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;methyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butyl-1H-indole-7-carboxylate?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[7-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-yl-1H-indol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(1,3-dihydroxypropan-2-yl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,3-dihydro-1-benzofuran-6-yl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;methyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butyl-1H-indole-7-carboxylate is CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1C(CO)CO.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCC5)CC3)ccc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CC1(c2cc3cc(NC(=O)C4(c5ccc6c(c5)OCO6)CC4)cc(F)c3[nH]2)CC1.COC(=O)c1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc2cc(C(C)(C)C)[nH]c12.COc1ccc(C2(C(=O)Nc3ccc4[nH]c(C5(C)CC5)cc4c3)CC2)cc1.O=C(Nc1ccc2[nH]c(-c3ccncc3)cc2c1)C1(c2ccc3c(c2)OCO3)CC1.

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[7-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-yl-1H-indol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(1,3-dihydroxypropan-2-yl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,3-dihydro-1-benzofuran-6-yl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;methyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butyl-1H-indole-7-carboxylate?

The InChIKey is BOHPYWHOWISWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N2O5.C25H26N2O5.C24H19N3O3.C24H26N2O2.C23H21FN2O3.C23H24N2O3.C23H24N2O2/c1-24(2,3)22-11-15-10-17(5-6-19(15)30(22)18(13-31)14-32)29-23(33)25(8-9-25)16-4-7-20-21(12-16)35-26(27,28)34-20;1-24(2,3)20-10-14-9-16(12-17(21(14)27-20)22(28)30-4)26-23(29)25(7-8-25)15-5-6-18-19(11-15)32-13-31-18;28-23(24(7-8-24)17-1-4-21-22(13-17)30-14-29-21)26-18-2-3-19-16(11-18)12-20(27-19)15-5-9-25-10-6-15;1-23(2,3)21-13-16-12-18(6-7-19(16)26-21)25-22(27)24(9-10-24)17-5-4-15-8-11-28-20(15)14-17;1-22(4-5-22)19-9-13-8-15(11-16(24)20(13)26-19)25-21(27)23(6-7-23)14-2-3-17-18(10-14)29-12-28-17;1-22(2,3)20-11-14-10-16(5-6-17(14)25-20)24-21(26)23(8-9-23)15-4-7-18-19(12-15)28-13-27-18;1-22(9-10-22)20-14-15-13-17(5-8-19(15)25-20)24-21(26)23(11-12-23)16-3-6-18(27-2)7-4-16/h4-7,10-12,18,31-32H,8-9,13-14H2,1-3H3,(H,29,33);5-6,9-12,27H,7-8,13H2,1-4H3,(H,26,29);1-6,9-13,27H,7-8,14H2,(H,26,28);4-7,12-14,26H,8-11H2,1-3H3,(H,25,27);2-3,8-11,26H,4-7,12H2,1H3,(H,25,27);4-7,10-12,25H,8-9,13H2,1-3H3,(H,24,26);3-8,13-14,25H,9-12H2,1-2H3,(H,24,26).

What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[7-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-yl-1H-indol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(1,3-dihydroxypropan-2-yl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,3-dihydro-1-benzofuran-6-yl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;methyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butyl-1H-indole-7-carboxylate?

1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[7-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-yl-1H-indol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(1,3-dihydroxypropan-2-yl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,3-dihydro-1-benzofuran-6-yl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;methyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butyl-1H-indole-7-carboxylate has a molecular weight of 2822.27 g/mol, XLogP of 33.33, 29 rotatable bonds, 15 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[7-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-yl-1H-indol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(1,3-dihydroxypropan-2-yl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,3-dihydro-1-benzofuran-6-yl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;methyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butyl-1H-indole-7-carboxylate is sourced from PubChem (CID 157411179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).